AN EFFICIENT IMPLEMENTATION OF NEWTON METHOD FOR COMPLEX NONIDEAL CHEMICAL-EQUILIBRIA

被引：17
|
作者：
GREINER, H
机构：
[1] Philips Forschungslabor GmbH, Weisshausstraße
来源：
COMPUTERS & CHEMICAL ENGINEERING | 1991年 / 15卷 / 02期
关键词：
D O I：
10.1016/0098-1354(91)87010-7
中图分类号：
TP39 [计算机的应用];
学科分类号：
081203 ; 0835 ;
摘要：
An exact Newton method for the calculation of chemical equilibria involving nonideal solution phases is derived. It generalizes the classical Brinkley-Nasa-Rand approach for systems with ideal solution phases. Compared to existing algorithms it offers guaranteed local quadratic convergence to non-degenerate equilibria and computational efficiency for complex systems with many species.
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页码：115 / 123
页数：9
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